Hi everyone, Jmol prerelease 10.9.63 is available for download at http://www.jmol.org/files/ We want to release 11.0 in a near future, so test as much as you can so we can fix bugs and deliver and really stable 11.0 :)
What needs to be done still before 11.0 : - fixing a bug in the internationalisation mechanisms (application / applet distinction) - fixing bug 1524187: memory hole: parent Component + Jmol don't get finalized <https://sourceforge.net/tracker/index.php?func=detail&aid=1524187&group_id=23629&atid=379133> - other things ? (please tell us if you think some things should be in 11.0) Nico ==================================== Jmol 10.9.63 adds four new features: --easier showing of information --molecular electrostatic potentials (finally!) --selectionHalos command --save/restore selection see http://www.stolaf.edu/academics/chemapps/jmol/examples-11/new.htm for interactive examples. easier showing of information ----------------------------- With Jmol 10.9.63 you can use the pop-up menu item "show" to show all sorts of information about the model. This information pops up in a console window that appears in front of the web page. This can be done in script as well, using the "console" command. console on;getProperty fileContents console on;show orientation molecular electrostatic potentials ---------------------------------- WE NEED TESTERS TO TAKE A CLOSE LOOK AT THIS. Jmol 10.9.63 introduces <b>isosurface MEP</b>, with which you can display molecular electrostatic potentials. These potentials are calculated from partial charge data present in a file; Jmol cannot calculate these charges. # Just the MEP: load CH3F.smol;isosurface delete resolution 6 mep load C6H6.smol;isosurface delete resolution 6 mep # MEP mapped onto a surface: load CH3F.smol;isosurface delete resolution 6 solvent map mep load C6H6.smol;isosurface delete solvent map mep load C6H6.smol;isosurface delete resolution 3 solvent map mep # This one may take some time: load C6H6.smol;isosurface delete resolution 6 solvent map mep # Though somewhat slow, these can be saved as JVXL files: console on;show isosurface # and then loaded instantly: load C6H6-mep.jvxl;isosurface "" selectionHalos command ---------------------- Jmol 10.9.63 simplifies the selectionHalo business by introducing the <b>selectionHalos</b> command. It's the equivalent of "set showSelections" or "set display selected" but it\'s simpler and corresponds better with the <b>color selectionHalos</b> command. load caffeine.xyz;select _N selectionHalos on color selectionHalos red color halos blue select * color selectionHalos yellow color halos none color selectionHalos none save/restore selection ---------------------- Jmol 10.9.63 allows saving and restoring of the current selection set. Note that this is quite different from "define" because it saves and restores the precise set of atoms currently selected, not *why* they were selected. load caffeine.xyz;selectionHalos on select _C; save selection X # now move the model around save orientation X load caffeine.xyz;restore orientation X 1;restore selection X;selectionHalos on Bob Hanson ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
